N-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide

C13H16N4O2S — CID 65204688

IUPACN-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2snnc2C(C)C)c1
InChIInChI=1S/C13H16N4O2S/c1-7(2)11-12(20-17-16-11)13(18)15-10-6-8(19-3)4-5-9(10)14/h4-7H,14H2,1-3H3,(H,15,18)
InChIKeyKTUFVOYKRWEDOF-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.50
Rot. Bonds4

About N-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide

N-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 65204688) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID65204688
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2snnc2C(C)C)c1
InChIInChI=1S/C13H16N4O2S/c1-7(2)11-12(20-17-16-11)13(18)15-10-6-8(19-3)4-5-9(10)14/h4-7H,14H2,1-3H3,(H,15,18)
InChIKeyKTUFVOYKRWEDOF-UHFFFAOYSA-N
XLogP2.50
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210588
N-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide
CID 65210587
N-(4-amino-2-bromophenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65206995
N-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119420641
N-(2-amino-5-methoxyphenyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119421161
N-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103805177
N-(4-fluoro-2-iodophenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 79766714
N-(2-amino-5-methoxyphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 63257916
N-(4-bromo-2-carbamothioylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 82694099
N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119420651
N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 63258266
N-(4-bromo-2-ethylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 81290411

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide (CID 65204688) is N-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide is COc1ccc(N)c(NC(=O)c2snnc2C(C)C)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is KTUFVOYKRWEDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-7(2)11-12(20-17-16-11)13(18)15-10-6-8(19-3)4-5-9(10)14/h4-7H,14H2,1-3H3,(H,15,18).
What are the key properties of N-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide?
N-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).